Geometry & MOs

Info

ID:

315306

PubChem CID:

126625500

Reduced:

IN3O4H22C23 (1)

Stoich.:

AB3C4D22E23 (1)

Weight, g/mol:

723.078765

ΔHf, kcal/mol:

-23.31

Dipole, Da:

8.26

IP(EA), eV:

 -8.8(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[[7'-(diethylamino)-3-oxo-1'-(2,4,6-trichlorophenyl)spiro[2-benzofuran-1,4'-chromeno[2,3-c]pyrazole]-3'-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCN(CCI)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)ON=C5NC

DOS

IR

Vibrations